[gmx-users] Fwd: Static compilation of gromacs

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Wed May 15 09:36:58 CEST 2013

On 15.05.2013 06:41, Андрей Гончар wrote:
> I know, but on target machine there is a gcc compilator version 4.1, and on
> gromacs site they told that this version is broken and 4.5 should used
> instead. So I try to compile it on machine with 4.5 version of gcc

Андрей, if there is *no fftw3f on the target machine* and
if it's an old system which will run its old system until
thrown out, then you could do the /'tough admin'/ solution.

Contact the admin/root of the target machine and let him copy
the files that show up after:

    $> cd /usr
    $> du -a | grep lib64/libfftw3

to the same location (/usr/lib64) on the target machine. This
will most probably work fine (I did so in many cases).

Another variant: Put these files into your user directory
on the target machine (/home/andrey/fftw3) and point
LD_LIBRARY_PATH to this directory by issuing (bash):

$> LD_LIBRARY_PATH=/home/andrey/fftw3:$LD_LIBRARY_PATH  mdrun -v



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